4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine

C12H4Cl4F3N — CID 134637430

IUPAC4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2Cl)n1
InChIInChI=1S/C12H4Cl4F3N/c13-5-1-7(11(16)8(15)2-5)9-3-6(14)4-10(20-9)12(17,18)19/h1-4H
InChIKeyQKQWFENCOKVLAS-UHFFFAOYSA-N
MW360.98 g/mol
LogP6.38
Rot. Bonds1

About 4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine

4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine (PubChem CID 134637430) has the molecular formula C12H4Cl4F3N and a molecular weight of 360.98 g/mol. Its IUPAC name is 4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
PubChem CID134637430
Molecular FormulaC12H4Cl4F3N
Molecular Weight360.98 g/mol
Exact Mass358.90
IUPAC Name4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2Cl)n1
InChIInChI=1S/C12H4Cl4F3N/c13-5-1-7(11(16)8(15)2-5)9-3-6(14)4-10(20-9)12(17,18)19/h1-4H
InChIKeyQKQWFENCOKVLAS-UHFFFAOYSA-N
XLogP6.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.98
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 118839102
4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
CID 119002817
2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134637270
2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468690
2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 170837769
2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 134624047
2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637241
2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134630482
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 91926431
1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 10971996
3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 133089927

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine (CID 134637430) is 4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2Cl)n1.
What is the InChIKey of 4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is QKQWFENCOKVLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4F3N/c13-5-1-7(11(16)8(15)2-5)9-3-6(14)4-10(20-9)12(17,18)19/h1-4H.
What are the key properties of 4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine?
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine has a molecular weight of 360.98 g/mol, XLogP of 6.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134637430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).